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Substance Name: Sodium 1-(2-methylpropyl) 3-((4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthracenyl)amino)benzoate
RN: 85455-37-4
InChIKey: JCJTZQKYFFICPJ-UHFFFAOYSA-M

Molecular Formula

  • C25-H22-N2-O7-S.Na

Molecular Weight

  • 518.5197
 
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Names and Synonyms

Synonym

  • EINECS 287-272-6

Systematic Name

  • Sodium 1-(2-methylpropyl) 3-((4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthracenyl)amino)benzoate

Registry Numbers

CAS Registry Number

  • 85455-37-4

System Generated Number

  • 0085455374

Molecular Formulas

Molecular Formula

  • C25-H22-N2-O7-S.Na

Molecular Formula Fragments

  • C25-H22-N2-O7-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C25H24N2O7S.Na/c1-13(2)11-25(24(30)31)9-5-6-14(12-25)27-17-10-18(35(32,33)34)21(26)20-19(17)22(28)15-7-3-4-8-16(15)23(20)29;/h3-8,10,12-13,27H,9,11,26H2,1-2H3,(H,30,31)(H,32,33,34);/q;+1/p-1

InChIKey

JCJTZQKYFFICPJ-UHFFFAOYSA-M

Smiles

c12c(C(=O)c3c(C1=O)cccc3)c(cc(S(=O)(=O)[O-])c2N)NC1=CC(C(=O)O)(CC(C)C)CC=C1.[Na+]